[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C14H14F3N3O — CID 166556344

IUPAC[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyJXVANGVTYPQQAR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.13
Rot. Bonds1

About [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 166556344) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID166556344
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyJXVANGVTYPQQAR-UHFFFAOYSA-N
XLogP3.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 155961405
[4-bromo-3-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 81425967
7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
CID 58252507
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
cis-(1R,2S)-2-[[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557412

Frequently Asked Questions

What is the IUPAC name of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 166556344) is [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1.
What is the InChIKey of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JXVANGVTYPQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19).
What are the key properties of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 297.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166556344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).